NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2299 0.0000 0.0000 61.7898 34.2817 176.9905 3 Y 4.8455 6.9995 116.1009 56.6503 38.4551 174.7695 4 S 4.2381 8.8967 123.6696 59.7267 63.7651 173.5186 5 S 4.6811 8.5395 120.5631 58.1297 63.2853 173.9147 6 D 4.6224 7.8039 121.2542 54.0787 41.2589 176.4568 7 T 4.1779 8.1545 111.6471 62.0626 69.5621 173.5840 8 T 4.6913 7.9624 115.8657 59.3821 70.5996 171.6613 9 P 4.5197 0.0000 0.0000 62.8840 32.1050 176.3056 10 C 5.0255 8.6504 118.4772 55.2045 43.6165 173.6741 11 C 4.8906 8.0841 118.4117 55.4573 41.7543 174.0552 12 F 4.5146 8.3045 119.8211 56.8310 39.9517 174.5441 13 A 4.2677 7.2468 121.2413 51.4666 21.5889 175.2856 14 Y 5.1499 7.9728 117.0688 55.7394 40.6609 176.1092 15 I 3.8946 8.7231 124.8401 61.1050 38.7207 176.0111 16 A 4.3239 8.7323 129.9816 54.2434 18.7312 177.8753 17 R 4.5594 7.4966 112.2332 53.1915 33.6187 173.6022 18 P 2.0000 0.0000 0.0000 61.4155 31.5596 176.7559 19 L 4.0270 7.6349 122.8920 53.9724 42.4268 175.3311 20 P 4.2052 0.0000 0.0000 62.4988 31.9624 177.3823 21 R 3.0480 8.7028 123.4757 59.1721 29.9871 178.2026 22 A 3.9771 7.6677 118.4677 54.6556 18.6401 177.4840 23 H 4.6194 8.1667 112.2517 56.2867 29.2862 174.6965 24 I 4.7807 7.5291 121.8223 59.5738 38.2559 175.3864 25 K 4.6453 8.9217 123.7718 57.1900 34.6848 175.7250 26 E 5.1351 8.1465 118.9337 55.4040 34.3457 173.3469 27 Y 5.5225 8.4570 118.1828 56.0986 41.4714 173.7596 28 F 4.6213 8.5150 114.0773 55.9711 41.8363 172.4957 29 Y 4.9523 8.5324 117.4280 56.6891 39.2721 175.9737 30 T 4.3525 8.3509 113.6431 61.1610 70.1590 174.1900 31 S 4.1730 8.9348 116.7127 58.7585 62.6882 175.5478 32 G 3.8150 8.5891 114.6383 47.5152 0.0000 174.6938 33 K 4.1689 8.0047 119.0152 58.7157 32.4152 177.1612 34 C 4.5944 8.0709 116.9256 56.4802 40.6613 174.9407 35 S 4.0252 8.6462 116.6716 60.4337 62.9875 174.2448 36 N 5.0790 7.0609 114.3157 50.2610 41.0049 172.5292 37 P 4.5389 0.0000 0.0000 62.9465 32.6971 175.2926 38 A 4.6631 8.1415 119.2615 51.1778 22.6699 175.0724 39 V 3.8625 8.0365 120.7848 61.3068 33.6087 174.8104 40 V 4.3708 7.9853 127.7577 61.0534 33.4280 174.2381 41 F 5.3014 9.0704 127.2568 56.3849 41.1494 174.8296 42 V 4.9439 9.0650 123.7889 61.7204 33.3416 175.6371 43 T 5.0042 8.8412 118.8463 60.5918 70.8172 175.9076 44 R 4.1779 8.8078 120.2366 58.0041 30.1538 177.8159 45 K 4.3541 7.9809 116.4826 55.7146 32.0832 176.0542 46 N 4.3544 8.4456 114.7204 54.3135 36.6955 174.7573 47 R 4.3485 7.8324 116.9457 56.2791 31.7218 175.6017 48 Q 5.1075 8.6561 119.8509 54.2714 31.5503 175.0829 49 V 4.4927 8.8291 124.6801 61.0089 34.3712 174.1171 50 C 5.0191 8.9132 125.2573 57.1224 42.3013 172.4647 51 A 5.0646 8.9287 123.7403 50.1736 23.1781 174.9544 52 N 3.2972 8.0561 118.6076 51.7063 39.0182 174.4653 53 P 4.1020 0.0000 0.0000 64.8538 31.5853 177.1900 54 E 4.1912 8.0448 116.5307 57.2263 30.2330 177.5833 55 K 4.0509 7.4812 120.1772 55.4763 33.6814 177.8021 56 K 3.8713 8.6034 123.9331 60.0434 32.3977 179.4422 57 W 4.3020 7.9646 117.5797 58.9804 28.0646 178.3590 58 V 2.8733 6.2578 118.4794 65.6440 30.9601 178.1636 59 R 3.8583 7.7353 117.7248 59.0665 29.7911 178.9254 60 E 4.0397 8.5819 119.0705 59.5942 29.4288 178.9676 61 Y 4.2519 8.3380 116.9844 61.0317 37.8666 178.5159 62 I 3.2279 7.9111 120.7325 64.3956 36.9691 178.0869 63 N 4.3229 7.9119 115.7233 56.3695 38.6700 177.0869 64 S 4.2414 8.2477 114.3541 61.5422 62.3302 176.2286 65 L 4.0765 8.0981 120.5895 57.9067 41.4438 179.1253 66 E 4.2769 8.5139 117.6918 58.2834 29.7985 177.0874 67 M 4.4860 7.6519 118.4448 54.9356 33.2316 175.8510 68 S 4.3228 8.3438 119.0117 59.0901 63.0854 174.9008 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 P 0.00 4.23 0.00 0.49 1.70 0.00 3.11 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.81 0.00 3 Y 7.00 4.85 0.00 3.09 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.90 4.24 0.00 3.87 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.54 4.68 0.00 4.02 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 D 7.80 4.62 0.00 2.73 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.15 4.18 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 8 T 7.96 4.69 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 9 P 0.00 4.52 0.00 2.37 2.16 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.12 0.00 10 C 8.65 5.03 0.00 2.94 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 C 8.08 4.89 0.00 2.79 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.30 4.51 0.00 3.03 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.25 4.27 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.97 5.15 0.00 3.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.72 3.89 2.05 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.83 1.36 0.00 0.00 16 A 8.73 4.32 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.50 4.56 0.00 1.62 1.61 0.00 3.33 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 18 P 0.00 2.00 0.00 1.38 0.49 0.00 3.26 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.68 0.00 19 L 7.63 4.03 0.00 1.76 1.65 1.21 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.21 0.00 1.82 1.77 0.00 3.57 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 21 R 8.70 3.05 0.00 1.18 1.66 0.00 2.42 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.40 0.00 22 A 7.67 3.98 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.17 4.62 0.00 3.35 3.31 0.00 5.62 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.53 4.78 1.76 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.60 0.94 0.00 0.00 25 K 8.92 4.65 0.00 1.75 1.92 0.00 1.62 0.00 0.00 1.73 0.00 0.00 3.24 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.45 7.81 26 E 8.15 5.14 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 27 Y 8.46 5.52 0.00 2.75 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.51 4.62 0.00 2.91 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.53 4.95 0.00 2.86 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.35 4.35 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 31 S 8.93 4.17 0.00 3.91 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.59 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.00 4.17 0.00 1.81 1.93 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.44 7.81 34 C 8.07 4.59 0.00 3.14 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.65 4.03 0.00 4.04 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 7.06 5.08 0.00 2.72 2.73 0.00 0.00 7.05 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.54 0.00 2.21 2.06 0.00 3.90 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.99 0.00 38 A 8.14 4.66 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.04 3.86 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.17 0.00 0.00 40 V 7.99 4.37 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.47 0.00 0.00 41 F 9.07 5.30 0.00 3.09 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 9.07 4.94 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.17 0.00 0.00 43 T 8.84 5.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 44 R 8.81 4.18 0.00 1.80 2.02 0.00 3.22 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 45 K 7.98 4.35 0.00 1.74 1.82 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.41 7.81 46 N 8.45 4.35 0.00 2.86 2.94 0.00 0.00 6.91 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.83 4.35 0.00 1.86 1.90 0.00 3.09 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 48 Q 8.66 5.11 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 49 V 8.83 4.49 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.04 0.00 0.00 50 C 8.91 5.02 0.00 3.07 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.93 5.06 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.06 3.30 0.00 1.75 2.25 0.00 0.00 7.01 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.10 0.00 2.03 2.24 0.00 3.35 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 54 E 8.04 4.19 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.18 0.00 55 K 7.48 4.05 0.00 1.40 1.20 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.33 1.56 7.81 56 K 8.60 3.87 0.00 1.94 2.06 0.00 1.55 0.00 0.00 1.89 0.00 0.00 3.06 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.58 1.50 7.81 57 W 7.96 4.30 0.00 3.20 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 6.26 2.87 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 -0.68 0.00 0.00 59 R 7.74 3.86 0.00 1.94 1.90 0.00 3.11 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 60 E 8.58 4.04 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 61 Y 8.34 4.25 0.00 3.08 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 7.91 3.23 1.83 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.50 0.63 0.00 0.00 63 N 7.91 4.32 0.00 2.84 2.90 0.00 0.00 7.06 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.25 4.24 0.00 3.96 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.10 4.08 0.00 1.85 1.93 1.21 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.51 4.28 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.66 0.00 67 M 7.65 4.49 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.62 0.00 68 S 8.34 4.32 0.00 3.92 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00